ChemSpider 2D Image | Butyl 4-{[6-(5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoyl]amino}benzoate | C27H30N2O4S2

Butyl 4-{[6-(5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoyl]amino}benzoate

  • Molecular FormulaC27H30N2O4S2
  • Average mass510.668 Da
  • Monoisotopic mass510.164703 Da
  • ChemSpider ID2365914

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-{[6-(5-Benzylidène-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoyl]amino}benzoate de butyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[1-oxo-6-[4-oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl]hexyl]amino]-, butyl ester [ACD/Index Name]
Butyl 4-{[6-(5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoyl]amino}benzoate [ACD/IUPAC Name]
Butyl-4-{[6-(5-benzyliden-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoyl]amino}benzoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2379.10
ACD/KOC (pH 5.5): 9087.24
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2379.10
ACD/KOC (pH 7.4): 9087.24
Polar Surface Area: 133 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 397.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement